Geometry & MOs

Info

ID:	437631
PubChem CID:	135226738
Reduced:	N2C7H12 (1)
Stoich.:	A2B7C12 (1)
Weight, g/mol:	515.290783
ΔH_f, kcal/mol:	34.82
Dipole, Da:	2.57
IP(EA), eV:	-9.02(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(2S)-3-[4-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-fluorophenyl]-1-amino-1-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CCC2C1CN2N

DOS

IR

Vibrations