Geometry & MOs

Info

ID:	177872
PubChem CID:	76247230
Reduced:	BrClOSN2H10C15 (1)
Stoich.:	ABCDE2F10G15 (1)
Weight, g/mol:	440.217203
ΔH_f, kcal/mol:	56.73
Dipole, Da:	3.72
IP(EA), eV:	-9.54(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CSC(=C2)Br)C#N

DOS

IR

Vibrations