Geometry & MOs

Info

ID:	235341
PubChem CID:	92309482
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-61.75
Dipole, Da:	5.77
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-[(1S)-1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NCCCOC

DOS

IR

Vibrations