Geometry & MOs

Info

ID:	244128
PubChem CID:	99319082
Reduced:	F2N3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	400.196234
ΔH_f, kcal/mol:	-190.73
Dipole, Da:	4.89
IP(EA), eV:	-9.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)CC2=CC=CC=C2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations