Geometry & MOs

Info

ID:	445050
PubChem CID:	135264394
Reduced:	SN2H18C25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	694.409421
ΔH_f, kcal/mol:	127.99
Dipole, Da:	4.35
IP(EA), eV:	-8.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=NC=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)SC=C6

DOS

IR

Vibrations