Geometry & MOs

Info

ID:	56436
PubChem CID:	17425450
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-139.86
Dipole, Da:	4.49
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)C

DOS

IR

Vibrations