Geometry & MOs

Info

ID:	434791
PubChem CID:	135175712
Reduced:	ClF2N3O4C35H38 (1)
Stoich.:	AB2C3D4E35F38 (1)
Weight, g/mol:	493.194376
ΔH_f, kcal/mol:	-223.4
Dipole, Da:	6.45
IP(EA), eV:	-9.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-amino-3-[4-(4-chlorophenyl)phenyl]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)C(=O)C(=O)N[C@@H](C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)C5=CC=C(C=C5)Cl)(F)F

DOS

IR

Vibrations