Geometry & MOs

Info

ID:	432140
PubChem CID:	135172272
Reduced:	O4N5C26H37 (1)
Stoich.:	A4B5C26D37 (1)
Weight, g/mol:	458.264154
ΔH_f, kcal/mol:	-126.23
Dipole, Da:	6.14
IP(EA), eV:	-8.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[[5-(methylcarbamoyl)-1H-1,2,4-triazol-3-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(N3)C(=O)NC4CC4

DOS

IR

Vibrations