Geometry & MOs

Info

ID:	131457
PubChem CID:	51209256
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	372.125612
ΔH_f, kcal/mol:	29.62
Dipole, Da:	7.43
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=NN=C2SC(C)C(=O)N(C)C)CC3=CC=CC=C3)C

DOS

IR

Vibrations