Geometry & MOs

Info

ID:	313100
PubChem CID:	126611970
Reduced:	ClF2O3N4H25C29 (1)
Stoich.:	AB2C3D4E25F29 (1)
Weight, g/mol:	337.180857
ΔH_f, kcal/mol:	-133.27
Dipole, Da:	6.34
IP(EA), eV:	-9.0(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4S)-2-(3-chlorophenyl)-5-methylhept-1-en-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCC1(F)F)C(=O)C2=CC3=CC(=C(C=C3C=C2)C4=CC=C(O4)CNC(=O)/C=C/C5=CN=C(C=C5)N)Cl

DOS

IR

Vibrations