Geometry & MOs

Info

ID:	154975
PubChem CID:	56314534
Reduced:	BrSN2O2C22H23 (1)
Stoich.:	ABC2D2E22F23 (1)
Weight, g/mol:	487.196334
ΔH_f, kcal/mol:	-23.99
Dipole, Da:	2.68
IP(EA), eV:	-8.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

DOS

IR

Vibrations