Geometry & MOs

Info

ID:	415785
PubChem CID:	135088786
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-117.63
Dipole, Da:	7.09
IP(EA), eV:	-9.13(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-methyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(N1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations