Geometry & MOs

Info

ID:

191238

PubChem CID:

78122010

Reduced:

O5N7C19H31 (2)

Stoich.:

A5B7C19D31 (2)

Weight, g/mol:

818.429339

ΔHf, kcal/mol:

-434.54

Dipole, Da:

11.95

IP(EA), eV:

 -8.71(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[2-[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]propanoylamino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations