Geometry & MOs

Info

ID:	364001
PubChem CID:	127313672
Reduced:	S2N3O3C17H25 (1)
Stoich.:	A2B3C3D17E25 (1)
Weight, g/mol:	390.065031
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	3.89
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2(CCCC2)NC(=O)CSCC(=O)N3CCOCC3

DOS

IR

Vibrations