Geometry & MOs

Info

ID:	190235
PubChem CID:	77974477
Reduced:	FO3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	535.194609
ΔH_f, kcal/mol:	-129.15
Dipole, Da:	3.19
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(2-aminopropanoyl)-N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C=C(C3=C(C=C(C=C3)C(=O)O)OC)F)C4(CCC2(C4)C)C

DOS

IR

Vibrations