Geometry & MOs

Info

ID:	43783
PubChem CID:	10321785
Reduced:	S2N3O7C18H21 (1)
Stoich.:	A2B3C7D18E21 (1)
Weight, g/mol:	455.184506
ΔH_f, kcal/mol:	-180.11
Dipole, Da:	5.22
IP(EA), eV:	-9.02(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[[3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]anilino]methyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCS(=O)C3

DOS

IR

Vibrations