Geometry & MOs

Info

ID:	192686
PubChem CID:	78302378
Reduced:	FOSN2C26H31 (1)
Stoich.:	ABCD2E26F31 (1)
Weight, g/mol:	437.263819
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	2.86
IP(EA), eV:	-8.66(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[[4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[(2-amino-3-methylpentanoyl)amino]butanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=CS4

DOS

IR

Vibrations