Geometry & MOs

Info

ID:	347481
PubChem CID:	127272336
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	2.47
IP(EA), eV:	-9.31(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

C1CC(OC1)C(C2=CC=CC=C2)NC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations