Geometry & MOs

Info

ID:	133637
PubChem CID:	51567512
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-31.15
Dipole, Da:	4.59
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCCCN2C3=CC=CC=C3N=C2[C@@H]4CC(=O)N(C4)CC5=CC=CC=C5

DOS

IR

Vibrations