Geometry & MOs

Info

ID:	395722
PubChem CID:	135026341
Reduced:	NSO4C17H27 (1)
Stoich.:	ABC4D17E27 (1)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-182.02
Dipole, Da:	5.25
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5S,7S)-5-cyclopropyl-7-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(C)(C)O)/C=C/C(C)(C)O

DOS

IR

Vibrations