Geometry & MOs

Info

ID:	133183
PubChem CID:	51488549
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-138.76
Dipole, Da:	5.76
IP(EA), eV:	-9.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations