Geometry & MOs

Info

ID:	158293
PubChem CID:	56463310
Reduced:	SN3O3C21H35 (1)
Stoich.:	AB3C3D21E35 (1)
Weight, g/mol:	393.16864
ΔH_f, kcal/mol:	-167.02
Dipole, Da:	4.72
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCCC(C2)CN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations