Geometry & MOs

Info

ID:	225094
PubChem CID:	85741741
Reduced:	FIO7C12H16 (1)
Stoich.:	ABC7D12E16 (1)
Weight, g/mol:	539.306747
ΔH_f, kcal/mol:	-356.7
Dipole, Da:	1.87
IP(EA), eV:	-9.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(diaminomethylideneamino)-2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C(C1OC(=O)C)F)OC(=O)C)CI

DOS

IR

Vibrations