Geometry & MOs

Info

ID:	150371
PubChem CID:	53790060
Reduced:	NO3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	472.162785
ΔH_f, kcal/mol:	-248.98
Dipole, Da:	9.08
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[1-(carboxymethylamino)-3-[(4-ethoxy-4-methoxycyclohexa-2,5-dien-1-ylidene)amino]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1N)NC(=O)C(CO)(CO)CO)C(=O)O

DOS

IR

Vibrations