Geometry & MOs

Info

ID:	149556
PubChem CID:	53789229
Reduced:	N5C13H21 (1)
Stoich.:	A5B13C21 (1)
Weight, g/mol:	774.304698
ΔH_f, kcal/mol:	61.3
Dipole, Da:	6.72
IP(EA), eV:	-9.0(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2S)-1-[bis(phenylmethoxycarbonyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCN(CC)C1CCCC2C1=NC3=NC=NN3C2

DOS

IR

Vibrations