Geometry & MOs

Info

ID:	49601
PubChem CID:	11533341
Reduced:	SN2O8C23H32 (1)
Stoich.:	AB2C8D23E32 (1)
Weight, g/mol:	496.156912
ΔH_f, kcal/mol:	-343.24
Dipole, Da:	4.12
IP(EA), eV:	-8.6(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]-4-methylphenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C)(C)NCC(C2=C3C(=CC(=C2)O)NC(=O)CO3)O)C)O.CS(=O)(=O)O

DOS

IR

Vibrations