Geometry & MOs

Info

ID:

423

PubChem CID:

2745

Reduced:

N7O7C31H41 (1)

Stoich.:

A7B7C31D41 (1)

Weight, g/mol:

623.306747

ΔHf, kcal/mol:

-265.03

Dipole, Da:

4.74

IP(EA), eV:

 -9.43(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[(1-carboxy-2-phenylethyl)carbamoylamino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations