Geometry & MOs

Info

ID:	431697
PubChem CID:	135171793
Reduced:	ClO3N4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	457.268905
ΔH_f, kcal/mol:	-104.43
Dipole, Da:	3.56
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[[5-(methylcarbamoyl)-1H-imidazol-2-yl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NC=C(C=N3)Cl

DOS

IR

Vibrations