Geometry & MOs

Info

ID:	235340
PubChem CID:	92309479
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	14.87
Dipole, Da:	3.49
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxypropyl)-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)NCC4=CC=CC=C4

DOS

IR

Vibrations