Geometry & MOs

Info

ID:	188885
PubChem CID:	77779463
Reduced:	N5O5C30H37 (1)
Stoich.:	A5B5C30D37 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-181.91
Dipole, Da:	4.27
IP(EA), eV:	-8.41(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2-hydroxyoxolan-3-yl)amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC(=O)O)C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC(=CN2C)NC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations