Geometry & MOs

Info

ID:	221598
PubChem CID:	85285452
Reduced:	SeO4C29H36 (1)
Stoich.:	AB4C29D36 (1)
Weight, g/mol:	527.216869
ΔH_f, kcal/mol:	-149.49
Dipole, Da:	2.81
IP(EA), eV:	-8.75(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-2-[(4-phenylbenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC2C(C(C(=O)O2)C(C=CC3=CC=CC=C3)O)[Se]C4=CC=CC=C4)C(C)C

DOS

IR

Vibrations