Geometry & MOs

Info

ID:	58146
PubChem CID:	24424385
Reduced:	S2N3H19C22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	405.096955
ΔH_f, kcal/mol:	95.34
Dipole, Da:	6.96
IP(EA), eV:	-8.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations