Geometry & MOs

Info

ID:	415940
PubChem CID:	135088942
Reduced:	O4N7C31H41 (1)
Stoich.:	A4B7C31D41 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-125.96
Dipole, Da:	5.92
IP(EA), eV:	-8.32(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)CN5C=CC=N5)C(C)C

DOS

IR

Vibrations