Geometry & MOs

Info

ID:	217620
PubChem CID:	85088112
Reduced:	N2S2O5C16H18 (1)
Stoich.:	A2B2C5D16E18 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-63.24
Dipole, Da:	6.77
IP(EA), eV:	-8.95(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCOS(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations