Geometry & MOs

Info

ID:	179194
PubChem CID:	76449397
Reduced:	ClFSN2O4H17C19 (1)
Stoich.:	ABCD2E4F17G19 (1)
Weight, g/mol:	481.182398
ΔH_f, kcal/mol:	-117.44
Dipole, Da:	5.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.951334
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[3-[[1-(3-phenyl-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=C1C(=[N+](C(=O)N(C1=O)O)COCC2=C(C=C(C=C2)Cl)F)C3=CC=CS3)C

DOS

IR

Vibrations