Geometry & MOs

Info

ID:	324277
PubChem CID:	126677288
Reduced:	PSO2N3C7H18 (1)
Stoich.:	ABC2D3E7F18 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-144.27
Dipole, Da:	3.04
IP(EA), eV:	-8.81(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-4-(2-methylbenzimidazol-1-yl)-2-methylidenebut-3-enoate

Drug info:

PubChemData

Smile

CN(C)P(=O)(N1CCN(CC1)S)OC

DOS

IR

Vibrations