Geometry & MOs

Info

ID:	58130
PubChem CID:	24424264
Reduced:	ClSO2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	492.985517
ΔH_f, kcal/mol:	31.3
Dipole, Da:	4.59
IP(EA), eV:	-8.86(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(2,4-dichlorophenyl)methyl]thiourea

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations