Geometry & MOs

Info

ID:	164460
PubChem CID:	74403046
Reduced:	SN5O6C16H21 (1)
Stoich.:	AB5C6D16E21 (1)
Weight, g/mol:	381.11069
ΔH_f, kcal/mol:	-182.91
Dipole, Da:	2.16
IP(EA), eV:	-9.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(3,4,5-trihydroxyoxan-2-yl)thiourea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2CC(=O)NNC(=S)NC3C(C(C(C(O3)CO)O)O)O

DOS

IR

Vibrations