Geometry & MOs

Info

ID:	417301
PubChem CID:	135091962
Reduced:	N6O6C41H48 (1)
Stoich.:	A6B6C41D48 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	-109.79
Dipole, Da:	5.27
IP(EA), eV:	-8.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCN(CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)CN3C=C(C4=CC=CC=C43)C(=O)C5CC5)C(=O)C6=CC(=NO6)C7=CC=CC=C7

DOS

IR

Vibrations