Geometry & MOs

Info

ID:	190134
PubChem CID:	77959632
Reduced:	NO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	672.334542
ΔH_f, kcal/mol:	-30.76
Dipole, Da:	7.07
IP(EA), eV:	-9.35(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[cyclopropyl-[[1-[2-(methanesulfonamido)ethyl]-3a,7a-dihydroindol-3-yl]methyl]carbamoyl]-4-(3-phenylphenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C(=O)O)N1CC2=C(C1=O)C=CC(=C2)C#CC3=CC=CC=C3

DOS

IR

Vibrations