Geometry & MOs

Info

ID:	133145
PubChem CID:	51484384
Reduced:	N2O5C27H30 (1)
Stoich.:	A2B5C27D30 (1)
Weight, g/mol:	465.183461
ΔH_f, kcal/mol:	-189.54
Dipole, Da:	3.47
IP(EA), eV:	-9.13(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(cyclopropylcarbamoyl)-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=CC(=C4)C)C

DOS

IR

Vibrations