Geometry & MOs

Info

ID:

164225

PubChem CID:

74382424

Reduced:

O4N5C33H42 (2)

Stoich.:

A4B5C33D42 (2)

Weight, g/mol:

858.472524

ΔHf, kcal/mol:

-295.35

Dipole, Da:

8.42

IP(EA), eV:

 -9.09(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(C(=O)N1CC(CC1C(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5CC(N(C5)C(=O)C(C(C)(C)C)NC(=O)C(C)NC)C(=O)NCC(C6=CC=CC=C6)C7=CC=CC=C7)C(C)(C)C)NC

DOS

IR

Vibrations