Geometry & MOs

Info

ID:

222703

PubChem CID:

85330574

Reduced:

SN9O11C39H53 (1)

Stoich.:

AB9C11D39E53 (1)

Weight, g/mol:

1296.796317

ΔHf, kcal/mol:

-434.51

Dipole, Da:

9.77

IP(EA), eV:

 -8.72(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[6-amino-2-[[4-amino-2-[[6-amino-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]pentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations