Geometry & MOs

Info

ID:	58056
PubChem CID:	24423775
Reduced:	SN4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	308.109568
ΔH_f, kcal/mol:	85.95
Dipole, Da:	4.24
IP(EA), eV:	-8.61(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyclopropylthiourea

Drug info:

PubChemData

Smile

CNC(=S)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations