Geometry & MOs

Info

ID:	133682
PubChem CID:	51574179
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	54.04
Dipole, Da:	2.95
IP(EA), eV:	-9.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclopropyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(N2CC3=CC=CO3)S[C@@H](C4=CC=CC=C4)C(=O)NC5CC5

DOS

IR

Vibrations