Geometry & MOs

Info

ID:

163878

PubChem CID:

74380602

Reduced:

O5N10C48H60 (1)

Stoich.:

A5B10C48D60 (1)

Weight, g/mol:

889.438764

ΔHf, kcal/mol:

-146.76

Dipole, Da:

8.66

IP(EA), eV:

 -8.28(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CCCN=C(N)N)C(=O)N)N

DOS

IR

Vibrations