Geometry & MOs

Info

ID:

215737

PubChem CID:

85085168

Reduced:

SN15O16C59H99 (1)

Stoich.:

AB15C16D59E99 (1)

Weight, g/mol:

1307.846002

ΔHf, kcal/mol:

-797.83

Dipole, Da:

21.49

IP(EA), eV:

 -9.44(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)CNC(=O)C(C)NC(=O)C(C(C)CC)NC(=O)C(CS)NC(=O)C(C)N

DOS

IR

Vibrations