Geometry & MOs

Info

ID:	49709
PubChem CID:	11533620
Reduced:	O6N8C23H30 (1)
Stoich.:	A6B8C23D30 (1)
Weight, g/mol:	514.219175
ΔH_f, kcal/mol:	-218.1
Dipole, Da:	9.52
IP(EA), eV:	-9.35(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-[[3-[[[(2S)-2-phenylbutanoyl]amino]methyl]-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CCCN=C(N)N)C(=O)NC1=C(C=NC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N

DOS

IR

Vibrations