Geometry & MOs

Info

ID:	431976
PubChem CID:	135172104
Reduced:	ClO3N4C25H35 (1)
Stoich.:	AB3C4D25E35 (1)
Weight, g/mol:	469.30529
ΔH_f, kcal/mol:	-112.56
Dipole, Da:	4.14
IP(EA), eV:	-8.64(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]-4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)O)NC3=CN=C(C=N3)Cl

DOS

IR

Vibrations