Geometry & MOs

Info

ID:	445034
PubChem CID:	135264301
Reduced:	NC5H5 (2)
Stoich.:	AB5C5 (2)
Weight, g/mol:	715.376741
ΔH_f, kcal/mol:	71.36
Dipole, Da:	0.91
IP(EA), eV:	-8.28(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-amino-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]-1-hydroxypropyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CNN2

DOS

IR

Vibrations