Geometry & MOs

Info

ID:	426337
PubChem CID:	135143511
Reduced:	N4H24C31 (1)
Stoich.:	A4B24C31 (1)
Weight, g/mol:	496.304956
ΔH_f, kcal/mol:	183.67
Dipole, Da:	1.7
IP(EA), eV:	-8.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-amino-4-[amino(ethyl)amino]-2-methylphenyl]-4-imino-7-[(4-methoxyphenyl)methoxy]-2,2,6-trimethylhept-5-enoate

Drug info:

PubChemData

Smile

C=CC(=C)NC1=CC=CC(=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations