Geometry & MOs

Info

ID:	243167
PubChem CID:	99216305
Reduced:	SN3O4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	424.115853
ΔH_f, kcal/mol:	-95.27
Dipole, Da:	4.0
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl N-[3-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]amino]-3-oxopropyl]carbamate

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C=C(C=C2)NC(=O)[C@@H]3CSCN3C(=O)C4=CNC5=CC=CC=C54)C

DOS

IR

Vibrations