Geometry & MOs

Info

ID:	343274
PubChem CID:	127266447
Reduced:	ClSO3N4C16H23 (1)
Stoich.:	ABC3D4E16F23 (1)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	10.22
IP(EA), eV:	-8.51(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(Z)-(7-ethylindol-3-ylidene)methyl]amino]-3-(2-methoxyethyl)thiourea

Drug info:

PubChemData

Smile

CCOC1=C/C(=C/NNC(=S)NCCN2CCOCC2)/C=C(C1=O)Cl

DOS

IR

Vibrations