Geometry & MOs

Info

ID:	329220
PubChem CID:	126732427
Reduced:	ClN8O12C55H69 (1)
Stoich.:	AB8C12D55E69 (1)
Weight, g/mol:	102.023452
ΔH_f, kcal/mol:	-377.45
Dipole, Da:	8.28
IP(EA), eV:	-8.71(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

buta-1,3-dien-2-yloxyphosphane

Drug info:

Smile

C[C@@H](C(=O)C)NC(=O)[C@@H]1CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)[C@@H](C(=O)N[C@H](C(=O)N1)N)N(C)C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Cl)OCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations