Geometry & MOs

Info

ID:

168995

PubChem CID:

75053226

Reduced:

O7N9C39H59 (1)

Stoich.:

A7B9C39D59 (1)

Weight, g/mol:

776.433344

ΔHf, kcal/mol:

-315.17

Dipole, Da:

5.58

IP(EA), eV:

 -9.43(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-cyanophenyl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=CC(=C1)C)NC(=O)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations