Geometry & MOs

Info

ID:	245371
PubChem CID:	99443963
Reduced:	FN2O3H23C27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	497.09257
ΔH_f, kcal/mol:	-70.79
Dipole, Da:	3.0
IP(EA), eV:	-9.29(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclopropyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N(C4CC4)[C@@H](C)C5=CC=CC=C5F

DOS

IR

Vibrations