Geometry & MOs

Info

ID:	132068
PubChem CID:	51301967
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	321.089561
ΔH_f, kcal/mol:	-57.01
Dipole, Da:	8.73
IP(EA), eV:	-9.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)NCC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations