Geometry & MOs

Info

ID:

214813

PubChem CID:

85083685

Reduced:

SO4N6C32H50 (1)

Stoich.:

AB4C6D32E50 (1)

Weight, g/mol:

618.329646

ΔHf, kcal/mol:

-179.89

Dipole, Da:

5.12

IP(EA), eV:

 -8.98(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[4-[5-[4-[[3-amino-2-(4-hydroxyphenyl)propanoyl]amino]butyl]-6-methyl-3-oxopiperazin-2-yl]butyl]-3-(4-hydroxyphenyl)propanamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCCC2=CC=C(C=C2)CC(=O)NC(CO)C(=O)NC(CSCCN)C(=O)NCCC3CCCCC3

DOS

IR

Vibrations