Geometry & MOs

Info

ID:	324877
PubChem CID:	126678527
Reduced:	N3F4O5C18H25 (1)
Stoich.:	A3B4C5D18E25 (1)
Weight, g/mol:	410.08412
ΔH_f, kcal/mol:	-450.87
Dipole, Da:	2.84
IP(EA), eV:	-9.74(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[[2-(3-bromophenyl)acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CNC(=O)C2CCCC(C2)OC(F)(F)F)C(=O)NCC(=O)CF

DOS

IR

Vibrations