Geometry & MOs

Info

ID:	159379
PubChem CID:	57269760
Reduced:	O2P2C6N7H23 (1)
Stoich.:	A2B2C6D7E23 (1)
Weight, g/mol:	363.240959
ΔH_f, kcal/mol:	-202.3
Dipole, Da:	7.4
IP(EA), eV:	-8.83(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aS,6aR)-4-(3-hydroxy-5-methylnon-1-enyl)-1,3a,6,6a-tetrahydropentalen-2-yl]amino]oxypropanoic acid

Drug info:

PubChemData

Smile

C(CN)CN(CCCNP(=O)(N)N)P(=O)(N)N

DOS

IR

Vibrations