Geometry & MOs

Info

ID:	135947
PubChem CID:	51957995
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	431.212139
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	3.82
IP(EA), eV:	-9.01(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[[4-(dimethylamino)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@H](C)NC(=O)N2CCC[C@@H]2C3=CC=CS3

DOS

IR

Vibrations