Geometry & MOs

Info

ID:	324884
PubChem CID:	126678541
Reduced:	BrFO4N6C22H32 (1)
Stoich.:	ABC4D6E22F32 (1)
Weight, g/mol:	410.08412
ΔH_f, kcal/mol:	-206.14
Dipole, Da:	4.92
IP(EA), eV:	-9.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-[(2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations