Geometry & MOs

Info

ID:	364685
PubChem CID:	127315980
Reduced:	SN4O4C18H28 (1)
Stoich.:	AB4C4D18E28 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-202.59
Dipole, Da:	6.82
IP(EA), eV:	-9.51(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutan-2-yl)-3-[3-(pyrrolidin-1-ylmethyl)benzoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C1CSCN1C(=O)C2CCC3(CC2)C(=O)NC(=O)N3

DOS

IR

Vibrations