Geometry & MOs

Info

ID:	394108
PubChem CID:	135022333
Reduced:	N2O7C27H32 (1)
Stoich.:	A2B7C27D32 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	-291.95
Dipole, Da:	2.43
IP(EA), eV:	-8.85(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-ynoate

Drug info:

PubChemData

Smile

CC1(N(C[C@H](O1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations