Geometry & MOs

Info

ID:	432139
PubChem CID:	135172271
Reduced:	SO3N5C26H37 (1)
Stoich.:	AB3C5D26E37 (1)
Weight, g/mol:	483.284555
ΔH_f, kcal/mol:	-79.7
Dipole, Da:	6.13
IP(EA), eV:	-8.82(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NN=C(S3)C(=O)NC4CC4

DOS

IR

Vibrations