Geometry & MOs

Info

ID:	425050
PubChem CID:	135124966
Reduced:	S2O4N5C29H35 (1)
Stoich.:	A2B4C5D29E35 (1)
Weight, g/mol:	464.221226
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	6.35
IP(EA), eV:	-9.17(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S,4R)-1-acetyl-2-methyl-4-(quinolin-5-ylamino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(C3=CC(=C(S3)C)CN4C[C@@H](CC5=C(S4(=O)=O)C=CC=N5)C)C(C)(C)C(=O)O)C)N=N1

DOS

IR

Vibrations