Geometry & MOs

Info

ID:	185338
PubChem CID:	77287792
Reduced:	S2N3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	364.0171
ΔH_f, kcal/mol:	-119.59
Dipole, Da:	10.3
IP(EA), eV:	-8.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromoanilino)-4-oxo-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCCN2CC3CCC(=O)N3CCSC4=NC(=CS4)C(=O)O

DOS

IR

Vibrations