Geometry & MOs

Info

ID:	445027
PubChem CID:	135264286
Reduced:	N2O3C26H30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	743.40467
ΔH_f, kcal/mol:	-76.63
Dipole, Da:	7.77
IP(EA), eV:	-8.86(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCC(=O)O

DOS

IR

Vibrations