Geometry & MOs

Info

ID:	33259
PubChem CID:	7885690
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-78.82
Dipole, Da:	2.49
IP(EA), eV:	-9.04(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[(4-butoxybenzoyl)amino]acetyl]oxymethyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC(=O)NCC3=CC=CC=C3)C

DOS

IR

Vibrations