Geometry & MOs

Info

ID:	438908
PubChem CID:	135228669
Reduced:	O3N4C28H32 (1)
Stoich.:	A3B4C28D32 (1)
Weight, g/mol:	373.152537
ΔH_f, kcal/mol:	-62.91
Dipole, Da:	9.73
IP(EA), eV:	-8.47(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(3-methoxy-4-nitrosophenyl)butanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(N=C4)N5CCCC5)C(C)(C)C

DOS

IR

Vibrations