Geometry & MOs

Info

ID:	420962
PubChem CID:	135115127
Reduced:	N3O7C32H35 (1)
Stoich.:	A3B7C32D35 (1)
Weight, g/mol:	386.198777
ΔH_f, kcal/mol:	-145.24
Dipole, Da:	11.82
IP(EA), eV:	-7.88(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-ethyl-5-(2-methylpropyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)C5=CC6=C(CCC6)NC5=O)OC

DOS

IR

Vibrations