Geometry & MOs

Info

ID:	414541
PubChem CID:	135087500
Reduced:	N6O6C37H46 (1)
Stoich.:	A6B6C37D46 (1)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-225.75
Dipole, Da:	2.16
IP(EA), eV:	-9.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CN(C(=O)C=C4)C

DOS

IR

Vibrations