Geometry & MOs

Info

ID:	243038
PubChem CID:	99215235
Reduced:	FOSN4C24H29 (1)
Stoich.:	ABCD4E24F29 (1)
Weight, g/mol:	462.10667
ΔH_f, kcal/mol:	-52.42
Dipole, Da:	5.16
IP(EA), eV:	-8.27(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)carbamoylamino]-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC[C@H]3CCN(C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations