Geometry & MOs

Info

ID:	58162
PubChem CID:	24424471
Reduced:	S2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	469.145361
ΔH_f, kcal/mol:	44.57
Dipole, Da:	4.17
IP(EA), eV:	-8.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-morpholin-4-ylsulfonylphenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=S)N(CCCN(C)C)CC2=CC=CS2

DOS

IR

Vibrations