Geometry & MOs

Info

ID:	343273
PubChem CID:	127266446
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	386.117939
ΔH_f, kcal/mol:	-10.3
Dipole, Da:	4.65
IP(EA), eV:	-8.9(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(Z)-(3-chloro-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(2-morpholin-4-ylethyl)thiourea

Drug info:

PubChemData

Smile

CCCOC1=CC(=O)/C(=C\NNC(=S)NCCC2=CC=CC=C2)/C=C1

DOS

IR

Vibrations